3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide

C14H20ClNO — CID 81360770

IUPAC3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)C(C)(C)CCl)c1
InChIInChI=1S/C14H20ClNO/c1-10-6-5-7-12(8-10)11(2)16-13(17)14(3,4)9-15/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyZZJIQDKJQMPLFL-LLVKDONJSA-N
MW253.77 g/mol
LogP3.44
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide

3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide (PubChem CID 81360770) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
PubChem CID81360770
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)C(C)(C)CCl)c1
InChIInChI=1S/C14H20ClNO/c1-10-6-5-7-12(8-10)11(2)16-13(17)14(3,4)9-15/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyZZJIQDKJQMPLFL-LLVKDONJSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 63664640
3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81348452
3-chloro-N-[1-(2,6-difluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 63680759
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 81367887
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
3-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 81400085
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide (CID 81360770) is 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide is Cc1cccc([C@@H](C)NC(=O)C(C)(C)CCl)c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The InChIKey is ZZJIQDKJQMPLFL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-5-7-12(8-10)11(2)16-13(17)14(3,4)9-15/h5-8,11H,9H2,1-4H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide has a molecular weight of 253.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81360770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).